D08TGQ -OEChem-10101305022D 47 49 0 1 0 0 0 0 0999 V2000 7.6651 1.7140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 3.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.0386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.8466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.2286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -1.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.8138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 3.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 3.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4869 2.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 6 0 0 0 3 33 1 0 0 0 0 13 4 1 6 0 0 0 4 35 1 0 0 0 0 5 26 1 0 0 0 0 5 47 1 0 0 0 0 6 26 2 0 0 0 0 14 7 1 1 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 17 1 0 0 0 0 8 25 2 0 0 0 0 9 23 2 0 0 0 0 9 25 1 0 0 0 0 10 23 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 24 11 1 6 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 1 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$